data_10294
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the homeobox domain of Homeobox protein OTX2
;
_BMRB_accession_number 10294
_BMRB_flat_file_name bmr10294.str
_Entry_type new
_Submission_date 2008-12-17
_Accession_date 2008-12-18
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ohnishi S. . .
2 Saito K. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 374
"13C chemical shifts" 292
"15N chemical shifts" 66
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-12-17 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the homeobox domain of Homeobox protein OTX2'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ohnishi S. . .
2 Saito K. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Homeobox protein OTX2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'homeobox domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'homeobox domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 80
_Mol_residue_sequence
;
GSSGSSGRRERTTFTRAQLD
VLEALFAKTRYPDIFMREEV
ALKINLPESRVQVWFKNRRA
KCRQQQQQQQNGGQSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ARG 9 ARG 10 GLU
11 ARG 12 THR 13 THR 14 PHE 15 THR
16 ARG 17 ALA 18 GLN 19 LEU 20 ASP
21 VAL 22 LEU 23 GLU 24 ALA 25 LEU
26 PHE 27 ALA 28 LYS 29 THR 30 ARG
31 TYR 32 PRO 33 ASP 34 ILE 35 PHE
36 MET 37 ARG 38 GLU 39 GLU 40 VAL
41 ALA 42 LEU 43 LYS 44 ILE 45 ASN
46 LEU 47 PRO 48 GLU 49 SER 50 ARG
51 VAL 52 GLN 53 VAL 54 TRP 55 PHE
56 LYS 57 ASN 58 ARG 59 ARG 60 ALA
61 LYS 62 CYS 63 ARG 64 GLN 65 GLN
66 GLN 67 GLN 68 GLN 69 GLN 70 GLN
71 ASN 72 GLY 73 GLY 74 GLN 75 SER
76 GLY 77 PRO 78 SER 79 SER 80 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-05
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2DMS "Solution Structure Of The Homeobox Domain Of Homeobox Protein Otx2" 100.00 80 100.00 100.00 8.49e-50
DBJ BAA05159 "otx homeoprotein [Danio rerio]" 83.75 289 100.00 100.00 9.71e-40
DBJ BAB16104 "orthodenticle [Apostichopus japonicus]" 68.75 338 98.18 98.18 1.30e-26
DBJ BAB62171 "transcriptional factor [Leucopsarion petersii]" 75.00 326 98.33 100.00 1.06e-34
DBJ BAC02578 "Otx2 [Labidochromis caeruleus]" 83.75 245 100.00 100.00 1.60e-40
DBJ BAC02579 "Otx2, partial [Haplochromis brownae]" 83.75 245 100.00 100.00 1.60e-40
EMBL CAA04396 "Otx2 [Oryzias latipes]" 83.75 181 100.00 100.00 6.21e-41
EMBL CAA87093 "homeobox protein [Xenopus laevis]" 83.75 288 98.51 100.00 1.50e-39
EMBL CAD32962 "homeobox protein OTX2 [Gallus gallus]" 83.75 289 100.00 100.00 1.06e-39
EMBL CAG00311 "unnamed protein product, partial [Tetraodon nigroviridis]" 75.00 333 98.33 100.00 1.08e-34
EMBL CAG10588 "unnamed protein product, partial [Tetraodon nigroviridis]" 83.75 346 98.51 98.51 4.58e-33
GB AAA78901 "orthodenticle-related protein 2 [Danio rerio]" 83.75 289 100.00 100.00 9.71e-40
GB AAA85388 "orthodenticle-A like protein, partial [Xenopus laevis]" 78.75 102 98.41 100.00 7.84e-37
GB AAB27580 "Otx2=homeodomain containing [mice, embryos, Peptide, 289 aa]" 83.75 289 100.00 100.00 1.07e-39
GB AAB63527 "orthodenticle 2 [Xenopus laevis]" 83.75 289 98.51 100.00 1.29e-39
GB AAD31385 "homeodomain protein OTX2 [Homo sapiens]" 83.75 289 100.00 100.00 1.15e-39
PIR S39407 "homeotic protein otx2 - human" 83.75 225 100.00 100.00 4.80e-40
REF NP_001016021 "homeobox protein otx5 [Xenopus (Silurana) tropicalis]" 70.00 290 98.21 100.00 1.13e-31
REF NP_001016177 "homeobox protein OTX2 [Xenopus (Silurana) tropicalis]" 83.75 289 100.00 100.00 1.16e-39
REF NP_001084160 "homeobox protein OTX2-A [Xenopus laevis]" 83.75 288 98.51 100.00 1.50e-39
REF NP_001084955 "homeobox protein OTX2-B [Xenopus laevis]" 83.75 289 98.51 100.00 1.29e-39
REF NP_001094036 "homeobox protein OTX2 [Rattus norvegicus]" 83.75 289 100.00 100.00 1.15e-39
SP P32242 "RecName: Full=Homeobox protein OTX1; AltName: Full=Orthodenticle homolog 1" 75.00 354 98.33 100.00 1.48e-33
SP P32243 "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" 83.75 289 100.00 100.00 1.15e-39
SP P80206 "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle homolog 2" 83.75 289 100.00 100.00 1.07e-39
SP Q28EM7 "RecName: Full=Homeobox protein otx5; AltName: Full=Orthodenticle homolog 5" 70.00 290 98.21 100.00 1.13e-31
SP Q28FN6 "RecName: Full=Homeobox protein OTX2; AltName: Full=Orthodenticle 2" 83.75 289 100.00 100.00 1.16e-39
TPG DAA24647 "TPA: orthodenticle homeobox 1-like [Bos taurus]" 75.00 355 98.33 100.00 1.79e-33
TPG DAA25273 "TPA: orthodenticle homeobox 2-like isoform 1 [Bos taurus]" 83.75 289 100.00 100.00 1.07e-39
TPG DAA25274 "TPA: orthodenticle homeobox 2-like isoform 2 [Bos taurus]" 83.75 297 100.00 100.00 1.36e-39
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 mouse 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P050711-11
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.0 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name XWINNMR
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.965
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'homeobox domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 7 7 GLY HA2 H 3.978 0.030 1
2 7 7 GLY HA3 H 3.978 0.030 1
3 7 7 GLY C C 174.149 0.300 1
4 7 7 GLY CA C 45.393 0.300 1
5 8 8 ARG H H 8.135 0.030 1
6 8 8 ARG C C 176.480 0.300 1
7 8 8 ARG CA C 56.589 0.300 1
8 8 8 ARG CB C 30.686 0.300 1
9 8 8 ARG CD C 43.339 0.300 1
10 8 8 ARG CG C 26.964 0.300 1
11 8 8 ARG N N 120.720 0.300 1
12 9 9 ARG H H 8.471 0.030 1
13 9 9 ARG HA H 4.288 0.030 1
14 9 9 ARG C C 176.504 0.300 1
15 9 9 ARG CA C 56.432 0.300 1
16 9 9 ARG CB C 30.466 0.300 1
17 9 9 ARG N N 122.487 0.300 1
18 13 13 THR HA H 4.365 0.030 1
19 13 13 THR HB H 4.147 0.030 1
20 13 13 THR HG2 H 1.128 0.030 1
21 13 13 THR C C 173.954 0.300 1
22 13 13 THR CA C 61.440 0.300 1
23 13 13 THR CB C 70.210 0.300 1
24 13 13 THR CG2 C 21.519 0.300 1
25 14 14 PHE H H 8.297 0.030 1
26 14 14 PHE HA H 4.941 0.030 1
27 14 14 PHE HB2 H 2.767 0.030 2
28 14 14 PHE HB3 H 3.091 0.030 2
29 14 14 PHE HD1 H 7.149 0.030 1
30 14 14 PHE HD2 H 7.149 0.030 1
31 14 14 PHE HE1 H 7.217 0.030 1
32 14 14 PHE HE2 H 7.217 0.030 1
33 14 14 PHE HZ H 7.307 0.030 1
34 14 14 PHE C C 176.650 0.300 1
35 14 14 PHE CA C 57.077 0.300 1
36 14 14 PHE CB C 41.503 0.300 1
37 14 14 PHE CD1 C 131.597 0.300 1
38 14 14 PHE CD2 C 131.597 0.300 1
39 14 14 PHE CE1 C 131.475 0.300 1
40 14 14 PHE CE2 C 131.475 0.300 1
41 14 14 PHE CZ C 128.997 0.300 1
42 14 14 PHE N N 121.677 0.300 1
43 15 15 THR H H 9.009 0.030 1
44 15 15 THR HA H 4.493 0.030 1
45 15 15 THR HB H 4.748 0.030 1
46 15 15 THR HG2 H 1.296 0.030 1
47 15 15 THR C C 175.314 0.300 1
48 15 15 THR CA C 60.359 0.300 1
49 15 15 THR CB C 70.902 0.300 1
50 15 15 THR CG2 C 21.837 0.300 1
51 15 15 THR N N 113.381 0.300 1
52 16 16 ARG H H 8.882 0.030 1
53 16 16 ARG HA H 3.986 0.030 1
54 16 16 ARG HB2 H 1.965 0.030 1
55 16 16 ARG HB3 H 1.965 0.030 1
56 16 16 ARG HD2 H 3.303 0.030 2
57 16 16 ARG HD3 H 3.230 0.030 2
58 16 16 ARG HG2 H 1.843 0.030 2
59 16 16 ARG HG3 H 1.666 0.030 2
60 16 16 ARG C C 177.670 0.300 1
61 16 16 ARG CA C 59.042 0.300 1
62 16 16 ARG CB C 30.100 0.300 1
63 16 16 ARG CD C 43.160 0.300 1
64 16 16 ARG CG C 26.339 0.300 1
65 16 16 ARG N N 122.206 0.300 1
66 17 17 ALA H H 8.251 0.030 1
67 17 17 ALA HA H 4.159 0.030 1
68 17 17 ALA HB H 1.408 0.030 1
69 17 17 ALA C C 181.386 0.300 1
70 17 17 ALA CA C 54.986 0.300 1
71 17 17 ALA CB C 18.333 0.300 1
72 17 17 ALA N N 119.149 0.300 1
73 18 18 GLN H H 7.533 0.030 1
74 18 18 GLN HA H 3.858 0.030 1
75 18 18 GLN HB2 H 2.668 0.030 2
76 18 18 GLN HB3 H 1.602 0.030 2
77 18 18 GLN HE21 H 6.595 0.030 2
78 18 18 GLN HE22 H 7.703 0.030 2
79 18 18 GLN HG2 H 2.371 0.030 2
80 18 18 GLN HG3 H 2.720 0.030 2
81 18 18 GLN C C 177.986 0.300 1
82 18 18 GLN CA C 58.790 0.300 1
83 18 18 GLN CB C 28.603 0.300 1
84 18 18 GLN CG C 34.921 0.300 1
85 18 18 GLN N N 116.295 0.300 1
86 18 18 GLN NE2 N 110.854 0.300 1
87 19 19 LEU H H 8.417 0.030 1
88 19 19 LEU HA H 3.547 0.030 1
89 19 19 LEU HB2 H 1.479 0.030 2
90 19 19 LEU HB3 H 1.819 0.030 2
91 19 19 LEU HD1 H 0.881 0.030 1
92 19 19 LEU HD2 H 0.715 0.030 1
93 19 19 LEU HG H 1.660 0.030 1
94 19 19 LEU C C 178.617 0.300 1
95 19 19 LEU CA C 57.745 0.300 1
96 19 19 LEU CB C 41.584 0.300 1
97 19 19 LEU CD1 C 25.320 0.300 2
98 19 19 LEU CD2 C 23.363 0.300 2
99 19 19 LEU CG C 26.333 0.300 1
100 19 19 LEU N N 118.955 0.300 1
101 20 20 ASP H H 8.537 0.030 1
102 20 20 ASP HA H 4.291 0.030 1
103 20 20 ASP HB2 H 2.733 0.030 2
104 20 20 ASP HB3 H 2.586 0.030 2
105 20 20 ASP C C 179.783 0.300 1
106 20 20 ASP CA C 57.666 0.300 1
107 20 20 ASP CB C 39.965 0.300 1
108 20 20 ASP N N 118.356 0.300 1
109 21 21 VAL H H 7.006 0.030 1
110 21 21 VAL HA H 3.667 0.030 1
111 21 21 VAL HB H 2.047 0.030 1
112 21 21 VAL HG1 H 0.888 0.030 1
113 21 21 VAL HG2 H 1.035 0.030 1
114 21 21 VAL C C 178.836 0.300 1
115 21 21 VAL CA C 66.062 0.300 1
116 21 21 VAL CB C 32.006 0.300 1
117 21 21 VAL CG1 C 22.397 0.300 2
118 21 21 VAL CG2 C 22.717 0.300 2
119 21 21 VAL N N 120.507 0.300 1
120 22 22 LEU H H 7.638 0.030 1
121 22 22 LEU HA H 3.557 0.030 1
122 22 22 LEU HB2 H -0.890 0.030 2
123 22 22 LEU HB3 H 0.540 0.030 2
124 22 22 LEU HD1 H -0.702 0.030 1
125 22 22 LEU HD2 H 0.505 0.030 1
126 22 22 LEU HG H 1.087 0.030 1
127 22 22 LEU C C 178.277 0.300 1
128 22 22 LEU CA C 58.595 0.300 1
129 22 22 LEU CB C 38.402 0.300 1
130 22 22 LEU CD1 C 23.871 0.300 2
131 22 22 LEU CD2 C 23.522 0.300 2
132 22 22 LEU CG C 26.115 0.300 1
133 22 22 LEU N N 122.874 0.300 1
134 23 23 GLU H H 8.880 0.030 1
135 23 23 GLU HA H 4.162 0.030 1
136 23 23 GLU HB2 H 2.062 0.030 1
137 23 23 GLU HB3 H 2.062 0.030 1
138 23 23 GLU HG2 H 2.442 0.030 2
139 23 23 GLU C C 180.123 0.300 1
140 23 23 GLU CA C 59.182 0.300 1
141 23 23 GLU CB C 29.111 0.300 1
142 23 23 GLU CG C 35.929 0.300 1
143 23 23 GLU N N 117.314 0.300 1
144 24 24 ALA H H 7.614 0.030 1
145 24 24 ALA HA H 4.273 0.030 1
146 24 24 ALA HB H 1.524 0.030 1
147 24 24 ALA C C 180.560 0.300 1
148 24 24 ALA CA C 55.023 0.300 1
149 24 24 ALA CB C 17.775 0.300 1
150 24 24 ALA N N 122.032 0.300 1
151 25 25 LEU H H 7.673 0.030 1
152 25 25 LEU HA H 4.507 0.030 1
153 25 25 LEU HB2 H 1.659 0.030 2
154 25 25 LEU HB3 H 2.339 0.030 2
155 25 25 LEU HD1 H 1.128 0.030 1
156 25 25 LEU HD2 H 0.884 0.030 1
157 25 25 LEU HG H 1.851 0.030 1
158 25 25 LEU C C 177.694 0.300 1
159 25 25 LEU CA C 57.913 0.300 1
160 25 25 LEU CB C 40.753 0.300 1
161 25 25 LEU CD1 C 23.205 0.300 2
162 25 25 LEU CD2 C 26.427 0.300 2
163 25 25 LEU CG C 27.209 0.300 1
164 25 25 LEU N N 120.067 0.300 1
165 26 26 PHE H H 8.839 0.030 1
166 26 26 PHE HA H 4.765 0.030 1
167 26 26 PHE HB2 H 3.265 0.030 1
168 26 26 PHE HB3 H 3.265 0.030 1
169 26 26 PHE HD1 H 7.323 0.030 1
170 26 26 PHE HD2 H 7.323 0.030 1
171 26 26 PHE HE1 H 7.141 0.030 1
172 26 26 PHE HE2 H 7.141 0.030 1
173 26 26 PHE HZ H 6.981 0.030 1
174 26 26 PHE C C 175.800 0.300 1
175 26 26 PHE CA C 61.017 0.300 1
176 26 26 PHE CB C 39.167 0.300 1
177 26 26 PHE CD1 C 132.627 0.300 1
178 26 26 PHE CD2 C 132.627 0.300 1
179 26 26 PHE CE1 C 130.637 0.300 1
180 26 26 PHE CE2 C 130.637 0.300 1
181 26 26 PHE CZ C 128.960 0.300 1
182 26 26 PHE N N 121.428 0.300 1
183 27 27 ALA H H 7.825 0.030 1
184 27 27 ALA HA H 4.062 0.030 1
185 27 27 ALA HB H 1.539 0.030 1
186 27 27 ALA C C 179.273 0.300 1
187 27 27 ALA CA C 53.975 0.300 1
188 27 27 ALA CB C 18.276 0.300 1
189 27 27 ALA N N 116.175 0.300 1
190 28 28 LYS H H 7.618 0.030 1
191 28 28 LYS HA H 4.251 0.030 1
192 28 28 LYS HB2 H 2.096 0.030 2
193 28 28 LYS HB3 H 2.055 0.030 2
194 28 28 LYS HD2 H 1.732 0.030 1
195 28 28 LYS HD3 H 1.732 0.030 1
196 28 28 LYS HE2 H 3.011 0.030 2
197 28 28 LYS HG2 H 1.446 0.030 2
198 28 28 LYS HG3 H 1.677 0.030 2
199 28 28 LYS C C 177.354 0.300 1
200 28 28 LYS CA C 58.122 0.300 1
201 28 28 LYS CB C 33.315 0.300 1
202 28 28 LYS CD C 29.392 0.300 1
203 28 28 LYS CE C 42.136 0.300 1
204 28 28 LYS CG C 25.023 0.300 1
205 28 28 LYS N N 118.586 0.300 1
206 29 29 THR H H 8.820 0.030 1
207 29 29 THR HA H 4.410 0.030 1
208 29 29 THR HB H 4.223 0.030 1
209 29 29 THR HG2 H 1.021 0.030 1
210 29 29 THR C C 170.360 0.300 1
211 29 29 THR CA C 59.749 0.300 1
212 29 29 THR CB C 68.972 0.300 1
213 29 29 THR CG2 C 19.162 0.300 1
214 29 29 THR N N 116.094 0.300 1
215 30 30 ARG H H 8.203 0.030 1
216 30 30 ARG HA H 3.957 0.030 1
217 30 30 ARG HB2 H 1.429 0.030 2
218 30 30 ARG HB3 H 1.263 0.030 2
219 30 30 ARG HD2 H 2.963 0.030 2
220 30 30 ARG HD3 H 2.847 0.030 2
221 30 30 ARG HG2 H 0.447 0.030 2
222 30 30 ARG HG3 H 1.364 0.030 2
223 30 30 ARG C C 175.120 0.300 1
224 30 30 ARG CA C 56.750 0.300 1
225 30 30 ARG CB C 30.444 0.300 1
226 30 30 ARG CD C 43.857 0.300 1
227 30 30 ARG CG C 27.350 0.300 1
228 30 30 ARG N N 122.783 0.300 1
229 31 31 TYR H H 8.002 0.030 1
230 31 31 TYR HA H 4.686 0.030 1
231 31 31 TYR HB2 H 3.031 0.030 2
232 31 31 TYR HB3 H 2.539 0.030 2
233 31 31 TYR HD1 H 7.054 0.030 1
234 31 31 TYR HD2 H 7.054 0.030 1
235 31 31 TYR HE1 H 6.774 0.030 1
236 31 31 TYR HE2 H 6.774 0.030 1
237 31 31 TYR C C 172.910 0.300 1
238 31 31 TYR CA C 55.303 0.300 1
239 31 31 TYR CB C 39.057 0.300 1
240 31 31 TYR CD1 C 133.587 0.300 1
241 31 31 TYR CD2 C 133.587 0.300 1
242 31 31 TYR CE1 C 118.015 0.300 1
243 31 31 TYR CE2 C 118.015 0.300 1
244 31 31 TYR N N 114.710 0.300 1
245 32 32 PRO HA H 4.427 0.030 1
246 32 32 PRO HB2 H 1.603 0.030 1
247 32 32 PRO HB3 H 1.603 0.030 1
248 32 32 PRO HD2 H 3.084 0.030 2
249 32 32 PRO HD3 H 2.999 0.030 2
250 32 32 PRO HG2 H 0.092 0.030 2
251 32 32 PRO HG3 H 1.069 0.030 2
252 32 32 PRO C C 177.257 0.300 1
253 32 32 PRO CA C 62.838 0.300 1
254 32 32 PRO CB C 32.082 0.300 1
255 32 32 PRO CD C 51.000 0.300 1
256 32 32 PRO CG C 25.589 0.300 1
257 33 33 ASP H H 7.804 0.030 1
258 33 33 ASP HA H 4.509 0.030 1
259 33 33 ASP HB2 H 3.223 0.030 2
260 33 33 ASP HB3 H 2.833 0.030 2
261 33 33 ASP C C 176.286 0.300 1
262 33 33 ASP CA C 52.894 0.300 1
263 33 33 ASP CB C 41.475 0.300 1
264 33 33 ASP N N 123.553 0.300 1
265 34 34 ILE H H 8.429 0.030 1
266 34 34 ILE HA H 3.700 0.030 1
267 34 34 ILE HB H 1.651 0.030 1
268 34 34 ILE HD1 H 0.789 0.030 1
269 34 34 ILE HG12 H 1.118 0.030 1
270 34 34 ILE HG13 H 1.118 0.030 1
271 34 34 ILE HG2 H 0.369 0.030 1
272 34 34 ILE C C 175.412 0.300 1
273 34 34 ILE CA C 63.602 0.300 1
274 34 34 ILE CB C 37.846 0.300 1
275 34 34 ILE CD1 C 14.223 0.300 1
276 34 34 ILE CG1 C 29.236 0.300 1
277 34 34 ILE CG2 C 16.579 0.300 1
278 34 34 ILE N N 117.269 0.300 1
279 35 35 PHE H H 7.086 0.030 1
280 35 35 PHE HA H 4.287 0.030 1
281 35 35 PHE HB2 H 3.270 0.030 2
282 35 35 PHE HB3 H 3.199 0.030 2
283 35 35 PHE HD1 H 7.341 0.030 1
284 35 35 PHE HD2 H 7.341 0.030 1
285 35 35 PHE HE1 H 7.384 0.030 1
286 35 35 PHE HE2 H 7.384 0.030 1
287 35 35 PHE HZ H 7.293 0.030 1
288 35 35 PHE C C 179.589 0.300 1
289 35 35 PHE CA C 60.676 0.300 1
290 35 35 PHE CB C 37.731 0.300 1
291 35 35 PHE CD1 C 131.755 0.300 1
292 35 35 PHE CD2 C 131.755 0.300 1
293 35 35 PHE CE1 C 131.822 0.300 1
294 35 35 PHE CE2 C 131.822 0.300 1
295 35 35 PHE CZ C 129.944 0.300 1
296 35 35 PHE N N 121.852 0.300 1
297 36 36 MET H H 8.559 0.030 1
298 36 36 MET HA H 4.216 0.030 1
299 36 36 MET HB2 H 2.165 0.030 2
300 36 36 MET HB3 H 1.959 0.030 2
301 36 36 MET HE H 2.212 0.030 1
302 36 36 MET HG2 H 2.669 0.030 2
303 36 36 MET HG3 H 2.971 0.030 2
304 36 36 MET C C 179.904 0.300 1
305 36 36 MET CA C 58.849 0.300 1
306 36 36 MET CB C 33.757 0.300 1
307 36 36 MET CE C 17.984 0.300 1
308 36 36 MET CG C 32.994 0.300 1
309 36 36 MET N N 120.502 0.300 1
310 37 37 ARG H H 8.495 0.030 1
311 37 37 ARG HA H 3.839 0.030 1
312 37 37 ARG HB2 H 1.664 0.030 2
313 37 37 ARG HB3 H 2.168 0.030 2
314 37 37 ARG HD2 H 2.774 0.030 2
315 37 37 ARG HD3 H 3.288 0.030 2
316 37 37 ARG HG2 H 0.589 0.030 2
317 37 37 ARG HG3 H 1.984 0.030 2
318 37 37 ARG C C 178.326 0.300 1
319 37 37 ARG CA C 60.738 0.300 1
320 37 37 ARG CB C 31.601 0.300 1
321 37 37 ARG CD C 43.849 0.300 1
322 37 37 ARG CG C 29.458 0.300 1
323 37 37 ARG N N 117.379 0.300 1
324 38 38 GLU H H 8.793 0.030 1
325 38 38 GLU HA H 4.028 0.030 1
326 38 38 GLU HB2 H 2.036 0.030 2
327 38 38 GLU HB3 H 2.198 0.030 2
328 38 38 GLU HG2 H 2.526 0.030 2
329 38 38 GLU HG3 H 2.229 0.030 2
330 38 38 GLU C C 179.079 0.300 1
331 38 38 GLU CA C 59.682 0.300 1
332 38 38 GLU CB C 29.555 0.300 1
333 38 38 GLU CG C 36.841 0.300 1
334 38 38 GLU N N 119.411 0.300 1
335 39 39 GLU H H 7.909 0.030 1
336 39 39 GLU HA H 4.090 0.030 1
337 39 39 GLU HB2 H 2.165 0.030 1
338 39 39 GLU HB3 H 2.165 0.030 1
339 39 39 GLU HG2 H 2.367 0.030 2
340 39 39 GLU HG3 H 2.119 0.030 2
341 39 39 GLU C C 179.662 0.300 1
342 39 39 GLU CA C 59.776 0.300 1
343 39 39 GLU CB C 29.688 0.300 1
344 39 39 GLU CG C 36.454 0.300 1
345 39 39 GLU N N 119.625 0.300 1
346 40 40 VAL H H 7.732 0.030 1
347 40 40 VAL HA H 3.836 0.030 1
348 40 40 VAL HB H 2.163 0.030 1
349 40 40 VAL HG1 H 1.110 0.030 1
350 40 40 VAL HG2 H 1.023 0.030 1
351 40 40 VAL C C 176.674 0.300 1
352 40 40 VAL CA C 65.856 0.300 1
353 40 40 VAL CB C 31.416 0.300 1
354 40 40 VAL CG1 C 24.524 0.300 2
355 40 40 VAL CG2 C 22.581 0.300 2
356 40 40 VAL N N 118.226 0.300 1
357 41 41 ALA H H 8.405 0.030 1
358 41 41 ALA HA H 3.843 0.030 1
359 41 41 ALA HB H 1.677 0.030 1
360 41 41 ALA C C 179.856 0.300 1
361 41 41 ALA CA C 56.009 0.300 1
362 41 41 ALA CB C 17.646 0.300 1
363 41 41 ALA N N 124.532 0.300 1
364 42 42 LEU H H 7.711 0.030 1
365 42 42 LEU HA H 4.199 0.030 1
366 42 42 LEU HB2 H 1.873 0.030 2
367 42 42 LEU HB3 H 1.690 0.030 2
368 42 42 LEU HD1 H 0.965 0.030 1
369 42 42 LEU HD2 H 0.944 0.030 1
370 42 42 LEU HG H 1.815 0.030 1
371 42 42 LEU C C 180.317 0.300 1
372 42 42 LEU CA C 57.484 0.300 1
373 42 42 LEU CB C 42.346 0.300 1
374 42 42 LEU CD1 C 24.874 0.300 2
375 42 42 LEU CD2 C 23.897 0.300 2
376 42 42 LEU CG C 27.000 0.300 1
377 42 42 LEU N N 116.217 0.300 1
378 43 43 LYS H H 7.615 0.030 1
379 43 43 LYS HA H 4.133 0.030 1
380 43 43 LYS HB2 H 2.062 0.030 2
381 43 43 LYS HB3 H 2.012 0.030 2
382 43 43 LYS HD2 H 1.696 0.030 1
383 43 43 LYS HD3 H 1.696 0.030 1
384 43 43 LYS HE2 H 2.974 0.030 1
385 43 43 LYS HE3 H 2.974 0.030 1
386 43 43 LYS HG2 H 1.669 0.030 2
387 43 43 LYS HG3 H 1.507 0.030 2
388 43 43 LYS C C 178.933 0.300 1
389 43 43 LYS CA C 59.269 0.300 1
390 43 43 LYS CB C 33.232 0.300 1
391 43 43 LYS CD C 29.528 0.300 1
392 43 43 LYS CE C 42.099 0.300 1
393 43 43 LYS CG C 25.393 0.300 1
394 43 43 LYS N N 118.909 0.300 1
395 44 44 ILE H H 8.057 0.030 1
396 44 44 ILE HA H 4.638 0.030 1
397 44 44 ILE HB H 2.272 0.030 1
398 44 44 ILE HD1 H 0.641 0.030 1
399 44 44 ILE HG12 H 1.792 0.030 2
400 44 44 ILE HG13 H 1.202 0.030 2
401 44 44 ILE HG2 H 0.950 0.030 1
402 44 44 ILE C C 174.853 0.300 1
403 44 44 ILE CA C 60.676 0.300 1
404 44 44 ILE CB C 38.258 0.300 1
405 44 44 ILE CD1 C 14.981 0.300 1
406 44 44 ILE CG1 C 23.935 0.300 1
407 44 44 ILE CG2 C 17.083 0.300 1
408 44 44 ILE N N 108.541 0.300 1
409 45 45 ASN H H 7.885 0.030 1
410 45 45 ASN HA H 4.400 0.030 1
411 45 45 ASN HB2 H 2.667 0.030 2
412 45 45 ASN HB3 H 3.236 0.030 2
413 45 45 ASN HD21 H 6.787 0.030 2
414 45 45 ASN HD22 H 7.461 0.030 2
415 45 45 ASN C C 173.857 0.300 1
416 45 45 ASN CA C 54.104 0.300 1
417 45 45 ASN CB C 37.082 0.300 1
418 45 45 ASN N N 119.396 0.300 1
419 45 45 ASN ND2 N 111.350 0.300 1
420 46 46 LEU H H 8.195 0.030 1
421 46 46 LEU HA H 4.961 0.030 1
422 46 46 LEU HB2 H 1.232 0.030 2
423 46 46 LEU HB3 H 1.345 0.030 2
424 46 46 LEU HD1 H 0.724 0.030 1
425 46 46 LEU HD2 H 0.999 0.030 1
426 46 46 LEU HG H 1.603 0.030 1
427 46 46 LEU CA C 52.101 0.300 1
428 46 46 LEU CB C 46.563 0.300 1
429 46 46 LEU CD1 C 26.626 0.300 2
430 46 46 LEU CD2 C 23.954 0.300 2
431 46 46 LEU CG C 26.643 0.300 1
432 46 46 LEU N N 119.142 0.300 1
433 47 47 PRO HA H 4.547 0.030 1
434 47 47 PRO HB2 H 2.000 0.030 2
435 47 47 PRO HB3 H 2.517 0.030 2
436 47 47 PRO HD2 H 3.428 0.030 2
437 47 47 PRO HD3 H 3.881 0.030 2
438 47 47 PRO HG2 H 2.099 0.030 1
439 47 47 PRO HG3 H 2.099 0.030 1
440 47 47 PRO C C 178.350 0.300 1
441 47 47 PRO CA C 62.434 0.300 1
442 47 47 PRO CB C 32.295 0.300 1
443 47 47 PRO CD C 50.549 0.300 1
444 47 47 PRO CG C 27.930 0.300 1
445 48 48 GLU H H 9.242 0.030 1
446 48 48 GLU HA H 3.689 0.030 1
447 48 48 GLU HB2 H 1.952 0.030 2
448 48 48 GLU HB3 H 2.302 0.030 2
449 48 48 GLU HG2 H 2.061 0.030 2
450 48 48 GLU HG3 H 2.355 0.030 2
451 48 48 GLU C C 178.326 0.300 1
452 48 48 GLU CA C 61.058 0.300 1
453 48 48 GLU CB C 28.537 0.300 1
454 48 48 GLU CG C 36.475 0.300 1
455 48 48 GLU N N 125.487 0.300 1
456 49 49 SER H H 8.653 0.030 1
457 49 49 SER HA H 4.058 0.030 1
458 49 49 SER HB2 H 3.960 0.030 2
459 49 49 SER HB3 H 4.008 0.030 2
460 49 49 SER C C 177.549 0.300 1
461 49 49 SER CA C 61.266 0.300 1
462 49 49 SER CB C 61.658 0.300 1
463 49 49 SER N N 113.467 0.300 1
464 50 50 ARG H H 7.489 0.030 1
465 50 50 ARG HA H 4.344 0.030 1
466 50 50 ARG HB2 H 2.114 0.030 1
467 50 50 ARG HB3 H 2.114 0.030 1
468 50 50 ARG HD2 H 3.307 0.030 2
469 50 50 ARG HD3 H 3.270 0.030 2
470 50 50 ARG HG2 H 1.906 0.030 2
471 50 50 ARG HG3 H 1.825 0.030 2
472 50 50 ARG C C 179.467 0.300 1
473 50 50 ARG CA C 57.575 0.300 1
474 50 50 ARG CB C 29.523 0.300 1
475 50 50 ARG CD C 42.207 0.300 1
476 50 50 ARG CG C 27.159 0.300 1
477 50 50 ARG N N 120.329 0.300 1
478 51 51 VAL H H 7.598 0.030 1
479 51 51 VAL HA H 3.733 0.030 1
480 51 51 VAL HB H 2.675 0.030 1
481 51 51 VAL HG1 H 1.131 0.030 1
482 51 51 VAL HG2 H 1.030 0.030 1
483 51 51 VAL C C 177.767 0.300 1
484 51 51 VAL CA C 67.082 0.300 1
485 51 51 VAL CB C 31.945 0.300 1
486 51 51 VAL CG1 C 21.539 0.300 2
487 51 51 VAL CG2 C 22.725 0.300 2
488 51 51 VAL N N 121.456 0.300 1
489 52 52 GLN H H 8.579 0.030 1
490 52 52 GLN HA H 4.338 0.030 1
491 52 52 GLN HB2 H 2.319 0.030 2
492 52 52 GLN HB3 H 2.264 0.030 2
493 52 52 GLN HE21 H 6.688 0.030 2
494 52 52 GLN HE22 H 7.937 0.030 2
495 52 52 GLN HG2 H 2.486 0.030 2
496 52 52 GLN HG3 H 2.346 0.030 2
497 52 52 GLN C C 178.836 0.300 1
498 52 52 GLN CA C 60.257 0.300 1
499 52 52 GLN CB C 28.377 0.300 1
500 52 52 GLN CG C 33.514 0.300 1
501 52 52 GLN N N 119.679 0.300 1
502 52 52 GLN NE2 N 111.406 0.300 1
503 53 53 VAL H H 7.777 0.030 1
504 53 53 VAL HA H 3.667 0.030 1
505 53 53 VAL HB H 2.245 0.030 1
506 53 53 VAL HG1 H 1.086 0.030 1
507 53 53 VAL HG2 H 1.213 0.030 1
508 53 53 VAL C C 177.379 0.300 1
509 53 53 VAL CA C 67.004 0.300 1
510 53 53 VAL CB C 32.237 0.300 1
511 53 53 VAL CG1 C 21.671 0.300 2
512 53 53 VAL CG2 C 23.434 0.300 2
513 53 53 VAL N N 119.215 0.300 1
514 54 54 TRP H H 8.177 0.030 1
515 54 54 TRP HA H 4.074 0.030 1
516 54 54 TRP HB2 H 3.499 0.030 2
517 54 54 TRP HB3 H 3.242 0.030 2
518 54 54 TRP HD1 H 6.662 0.030 1
519 54 54 TRP HE1 H 9.159 0.030 1
520 54 54 TRP HE3 H 6.551 0.030 1
521 54 54 TRP HH2 H 6.224 0.030 1
522 54 54 TRP HZ2 H 7.138 0.030 1
523 54 54 TRP HZ3 H 5.592 0.030 1
524 54 54 TRP C C 179.589 0.300 1
525 54 54 TRP CA C 63.273 0.300 1
526 54 54 TRP CB C 28.458 0.300 1
527 54 54 TRP CD1 C 127.161 0.300 1
528 54 54 TRP CE3 C 120.989 0.300 1
529 54 54 TRP CH2 C 123.233 0.300 1
530 54 54 TRP CZ2 C 113.643 0.300 1
531 54 54 TRP CZ3 C 121.040 0.300 1
532 54 54 TRP N N 120.980 0.300 1
533 54 54 TRP NE1 N 128.499 0.300 1
534 55 55 PHE H H 8.755 0.030 1
535 55 55 PHE HA H 3.626 0.030 1
536 55 55 PHE HB2 H 3.400 0.030 2
537 55 55 PHE HB3 H 3.215 0.030 2
538 55 55 PHE HD1 H 7.799 0.030 1
539 55 55 PHE HD2 H 7.799 0.030 1
540 55 55 PHE HE1 H 7.629 0.030 1
541 55 55 PHE HE2 H 7.629 0.030 1
542 55 55 PHE HZ H 7.455 0.030 1
543 55 55 PHE C C 177.937 0.300 1
544 55 55 PHE CA C 64.064 0.300 1
545 55 55 PHE CB C 39.579 0.300 1
546 55 55 PHE CD1 C 132.046 0.300 1
547 55 55 PHE CD2 C 132.046 0.300 1
548 55 55 PHE CE1 C 132.068 0.300 1
549 55 55 PHE CE2 C 132.068 0.300 1
550 55 55 PHE CZ C 130.212 0.300 1
551 55 55 PHE N N 118.177 0.300 1
552 56 56 LYS H H 8.169 0.030 1
553 56 56 LYS HA H 3.914 0.030 1
554 56 56 LYS HB2 H 1.989 0.030 1
555 56 56 LYS HB3 H 1.989 0.030 1
556 56 56 LYS HD2 H 1.718 0.030 2
557 56 56 LYS HE2 H 3.004 0.030 2
558 56 56 LYS HG2 H 1.409 0.030 2
559 56 56 LYS HG3 H 1.665 0.030 2
560 56 56 LYS C C 179.929 0.300 1
561 56 56 LYS CA C 60.488 0.300 1
562 56 56 LYS CB C 32.243 0.300 1
563 56 56 LYS CD C 29.776 0.300 1
564 56 56 LYS CE C 42.132 0.300 1
565 56 56 LYS CG C 25.145 0.300 1
566 56 56 LYS N N 119.649 0.300 1
567 57 57 ASN H H 8.238 0.030 1
568 57 57 ASN HA H 4.345 0.030 1
569 57 57 ASN HB2 H 2.501 0.030 2
570 57 57 ASN HB3 H 2.678 0.030 2
571 57 57 ASN HD21 H 7.542 0.030 2
572 57 57 ASN HD22 H 6.932 0.030 2
573 57 57 ASN C C 177.379 0.300 1
574 57 57 ASN CA C 55.515 0.300 1
575 57 57 ASN CB C 37.887 0.300 1
576 57 57 ASN N N 118.635 0.300 1
577 57 57 ASN ND2 N 113.181 0.300 1
578 58 58 ARG H H 8.347 0.030 1
579 58 58 ARG HA H 3.419 0.030 1
580 58 58 ARG HB2 H 0.657 0.030 2
581 58 58 ARG HB3 H -0.383 0.030 2
582 58 58 ARG HD2 H 2.401 0.030 2
583 58 58 ARG HD3 H 1.944 0.030 2
584 58 58 ARG HG2 H -0.323 0.030 2
585 58 58 ARG HG3 H -0.410 0.030 2
586 58 58 ARG C C 179.637 0.300 1
587 58 58 ARG CA C 56.820 0.300 1
588 58 58 ARG CB C 28.359 0.300 1
589 58 58 ARG CD C 40.841 0.300 1
590 58 58 ARG CG C 24.362 0.300 1
591 58 58 ARG N N 123.884 0.300 1
592 59 59 ARG H H 8.184 0.030 1
593 59 59 ARG HA H 4.124 0.030 1
594 59 59 ARG HB2 H 2.146 0.030 2
595 59 59 ARG HB3 H 1.812 0.030 2
596 59 59 ARG HD2 H 2.795 0.030 2
597 59 59 ARG HG2 H 2.321 0.030 2
598 59 59 ARG HG3 H 1.431 0.030 2
599 59 59 ARG C C 178.836 0.300 1
600 59 59 ARG CA C 60.478 0.300 1
601 59 59 ARG CB C 31.667 0.300 1
602 59 59 ARG CD C 43.753 0.300 1
603 59 59 ARG CG C 30.438 0.300 1
604 59 59 ARG N N 117.828 0.300 1
605 60 60 ALA H H 7.407 0.030 1
606 60 60 ALA HA H 4.183 0.030 1
607 60 60 ALA HB H 1.508 0.030 1
608 60 60 ALA C C 179.370 0.300 1
609 60 60 ALA CA C 54.509 0.300 1
610 60 60 ALA CB C 18.207 0.300 1
611 60 60 ALA N N 121.238 0.300 1
612 61 61 LYS H H 7.564 0.030 1
613 61 61 LYS HA H 4.143 0.030 1
614 61 61 LYS HB2 H 1.841 0.030 2
615 61 61 LYS HB3 H 1.751 0.030 2
616 61 61 LYS HD2 H 1.532 0.030 1
617 61 61 LYS HD3 H 1.532 0.030 1
618 61 61 LYS HE2 H 2.858 0.030 1
619 61 61 LYS HE3 H 2.858 0.030 1
620 61 61 LYS HG2 H 1.443 0.030 2
621 61 61 LYS HG3 H 1.366 0.030 2
622 61 61 LYS C C 177.767 0.300 1
623 61 61 LYS CA C 57.671 0.300 1
624 61 61 LYS CB C 32.490 0.300 1
625 61 61 LYS CD C 29.054 0.300 1
626 61 61 LYS CE C 42.062 0.300 1
627 61 61 LYS CG C 24.814 0.300 1
628 61 61 LYS N N 118.322 0.300 1
629 62 62 CYS H H 7.725 0.030 1
630 62 62 CYS HA H 4.401 0.030 1
631 62 62 CYS HB2 H 3.068 0.030 1
632 62 62 CYS HB3 H 3.068 0.030 1
633 62 62 CYS C C 175.752 0.300 1
634 62 62 CYS CA C 60.540 0.300 1
635 62 62 CYS CB C 27.654 0.300 1
636 62 62 CYS N N 117.981 0.300 1
637 63 63 ARG H H 8.044 0.030 1
638 63 63 ARG HA H 4.273 0.030 1
639 63 63 ARG HB2 H 1.932 0.030 2
640 63 63 ARG HD2 H 3.249 0.030 2
641 63 63 ARG HG2 H 1.743 0.030 2
642 63 63 ARG HG3 H 1.654 0.030 2
643 63 63 ARG C C 177.233 0.300 1
644 63 63 ARG CA C 57.631 0.300 1
645 63 63 ARG CB C 30.347 0.300 1
646 63 63 ARG CD C 43.419 0.300 1
647 63 63 ARG CG C 27.382 0.300 1
648 63 63 ARG N N 121.313 0.300 1
649 64 64 GLN H H 8.217 0.030 1
650 64 64 GLN HA H 4.262 0.030 1
651 64 64 GLN HB2 H 2.115 0.030 2
652 64 64 GLN HB3 H 2.075 0.030 2
653 64 64 GLN HE21 H 6.861 0.030 2
654 64 64 GLN HE22 H 7.536 0.030 2
655 64 64 GLN HG2 H 2.436 0.030 2
656 64 64 GLN C C 176.942 0.300 1
657 64 64 GLN CA C 57.172 0.300 1
658 64 64 GLN CB C 29.129 0.300 1
659 64 64 GLN CG C 33.918 0.300 1
660 64 64 GLN N N 120.369 0.300 1
661 64 64 GLN NE2 N 112.296 0.300 1
662 71 71 ASN CB C 37.967 0.300 1
663 71 71 ASN ND2 N 112.927 0.300 1
664 72 72 GLY HA2 H 3.984 0.030 1
665 72 72 GLY HA3 H 3.984 0.030 1
666 72 72 GLY C C 174.877 0.300 1
667 72 72 GLY CA C 45.604 0.300 1
668 73 73 GLY H H 8.288 0.030 1
669 73 73 GLY HA2 H 3.986 0.030 1
670 73 73 GLY HA3 H 3.986 0.030 1
671 73 73 GLY C C 174.319 0.300 1
672 73 73 GLY CA C 45.322 0.300 1
673 73 73 GLY N N 108.597 0.300 1
674 74 74 GLN H H 8.281 0.030 1
675 74 74 GLN HA H 4.413 0.030 1
676 74 74 GLN HB2 H 2.013 0.030 2
677 74 74 GLN HB3 H 2.173 0.030 2
678 74 74 GLN HE21 H 7.528 0.030 2
679 74 74 GLN HE22 H 6.855 0.030 2
680 74 74 GLN HG2 H 2.393 0.030 2
681 74 74 GLN C C 176.262 0.300 1
682 74 74 GLN CA C 55.973 0.300 1
683 74 74 GLN CB C 29.605 0.300 1
684 74 74 GLN CG C 33.851 0.300 1
685 74 74 GLN N N 119.866 0.300 1
686 74 74 GLN NE2 N 111.834 0.300 1
687 75 75 SER H H 8.432 0.030 1
688 75 75 SER HA H 4.524 0.030 1
689 75 75 SER HB2 H 3.891 0.030 1
690 75 75 SER HB3 H 3.891 0.030 1
691 75 75 SER C C 174.586 0.300 1
692 75 75 SER CA C 58.513 0.300 1
693 75 75 SER CB C 64.061 0.300 1
694 75 75 SER N N 117.073 0.300 1
695 76 76 GLY H H 8.244 0.030 1
696 76 76 GLY HA2 H 4.171 0.030 2
697 76 76 GLY HA3 H 4.102 0.030 2
698 76 76 GLY C C 171.842 0.300 1
699 76 76 GLY CA C 44.617 0.300 1
700 76 76 GLY N N 110.727 0.300 1
701 77 77 PRO HA H 4.494 0.030 1
702 77 77 PRO HB2 H 1.982 0.030 2
703 77 77 PRO HB3 H 2.303 0.030 2
704 77 77 PRO HD2 H 3.634 0.030 1
705 77 77 PRO HD3 H 3.634 0.030 1
706 77 77 PRO HG2 H 2.024 0.030 1
707 77 77 PRO HG3 H 2.024 0.030 1
708 77 77 PRO C C 177.476 0.300 1
709 77 77 PRO CA C 63.380 0.300 1
710 77 77 PRO CB C 32.231 0.300 1
711 77 77 PRO CD C 49.818 0.300 1
712 77 77 PRO CG C 27.180 0.300 1
713 78 78 SER H H 8.526 0.030 1
714 78 78 SER HA H 4.514 0.030 1
715 78 78 SER HB2 H 3.913 0.030 1
716 78 78 SER HB3 H 3.913 0.030 1
717 78 78 SER C C 174.756 0.300 1
718 78 78 SER CA C 58.513 0.300 1
719 78 78 SER CB C 63.896 0.300 1
720 78 78 SER N N 116.438 0.300 1
721 79 79 SER H H 8.329 0.030 1
722 79 79 SER HA H 4.502 0.030 1
723 79 79 SER HB2 H 3.921 0.030 1
724 79 79 SER HB3 H 3.921 0.030 1
725 79 79 SER C C 173.954 0.300 1
726 79 79 SER CA C 58.477 0.300 1
727 79 79 SER CB C 64.019 0.300 1
728 79 79 SER N N 117.859 0.300 1
729 80 80 GLY H H 8.053 0.030 1
730 80 80 GLY C C 179.079 0.300 1
731 80 80 GLY CA C 46.274 0.300 1
732 80 80 GLY N N 116.849 0.300 1
stop_
save_